COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.447  -1.304  -0.952  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.776  -2.483  -1.581  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.465  -1.390  -2.253  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.406  -0.662  -1.966  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.595  -1.008  -0.971  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.883  -2.164  -0.226  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.025  -2.908  -0.570  1.00  0.00           C  
HETATM    8  N   UNL     1      -9.359  -4.055   0.128  1.00  0.00           N  
HETATM    9  N   UNL     1      -6.914  -2.286   0.712  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.070  -1.302   0.593  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.447  -0.486  -0.431  1.00  0.00           N  
HETATM   12  P   UNL     1      -0.539   1.633   1.560  1.00  0.00           P  
HETATM   13  P   UNL     1       1.814  -0.153   1.801  1.00  0.00           P  
HETATM   14  P   UNL     1       4.396  -1.166   0.756  1.00  0.00           P  
HETATM   15  O   UNL     1      10.474  -0.769  -0.476  1.00  0.00           O1-
HETATM   16  O   UNL     1       8.769  -2.006  -0.359  1.00  0.00           O  
HETATM   17  C   UNL     1       9.099   1.229  -1.848  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.012   1.254   2.910  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.752   0.725  -0.876  1.00  0.00           C  
HETATM   20  O   UNL     1       2.480   0.790   2.727  1.00  0.00           O  
HETATM   21  O   UNL     1       4.427  -2.707   1.219  1.00  0.00           O  
HETATM   22  C   UNL     1       8.484   0.092  -1.358  1.00  0.00           C  
HETATM   23  N   UNL     1       9.290  -0.956  -0.692  1.00  0.00           N1+
HETATM   24  O   UNL     1      -7.484   2.462  -0.969  1.00  0.00           O  
HETATM   25  O   UNL     1       0.088   3.115   1.607  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.371   1.982  -0.213  1.00  0.00           C  
HETATM   27  O   UNL     1       1.261  -1.418   2.628  1.00  0.00           O  
HETATM   28  O   UNL     1       5.067  -1.029  -0.701  1.00  0.00           O  
HETATM   29  C   UNL     1       7.117  -0.065  -1.487  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.330   3.860  -1.386  1.00  0.00           O  
HETATM   31  O   UNL     1       0.586   0.590   1.072  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.194   2.987  -0.263  1.00  0.00           C  
HETATM   33  O   UNL     1       2.871  -0.654   0.695  1.00  0.00           O  
HETATM   34  O   UNL     1       5.153  -0.344   1.727  1.00  0.00           O  
HETATM   35  C   UNL     1       6.364   0.914  -2.109  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.388   0.731  -0.403  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.945   2.099  -0.419  1.00  0.00           C  
HETATM   38  C   UNL     1       6.979   2.050  -2.601  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.778   1.607   0.531  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.982   2.347   0.744  1.00  0.00           C  
HETATM   41  C   UNL     1       8.346   2.208  -2.470  1.00  0.00           C  
HETATM   42  C   UNL     1       6.563  -2.432  -1.979  1.00  0.00           C  
HETATM   43  H   UNL     1       6.931  -1.607  -0.023  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.102  -1.081  -3.068  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.150  -4.559  -0.119  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.803  -4.354   0.864  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.199  -1.154   1.215  1.00  0.00           H  
HETATM   48  H   UNL     1      10.166   1.354  -1.742  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.785   0.808  -1.962  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.905   3.248  -0.595  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.663   1.776   0.817  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.131   4.402  -1.369  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.143   3.562   0.661  1.00  0.00           H  
HETATM   54  H   UNL     1       5.296   0.790  -2.211  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.451   2.317  -1.366  1.00  0.00           H  
HETATM   56  H   UNL     1       6.391   2.815  -3.087  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.749   3.410   0.802  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.446   2.025   1.676  1.00  0.00           H  
HETATM   59  H   UNL     1       8.826   3.096  -2.853  1.00  0.00           H  
HETATM   60  H   UNL     1       6.079  -2.129  -2.907  1.00  0.00           H  
HETATM   61  H   UNL     1       7.616  -2.642  -2.170  1.00  0.00           H  
HETATM   62  H   UNL     1       6.079  -3.328  -1.591  1.00  0.00           H  
HETATM   63  H   UNL     1       0.419   3.430   0.755  1.00  0.00           H  
HETATM   64  H   UNL     1       0.812  -2.079   2.083  1.00  0.00           H  
HETATM   65  H   UNL     1       3.949  -3.305   0.627  1.00  0.00           H  
CONECT    1   28   29   42   43                                       
CONECT    2    3    3    7                                            
CONECT    3    2    2    4   44                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7   45   46                                            
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   47                                       
CONECT   11    5   10   19                                            
CONECT   12   18   18   25   31                                       
CONECT   12   39                                                      
CONECT   13   20   20   27   31                                       
CONECT   13   33                                                      
CONECT   14   21   28   33   34                                       
CONECT   14   34                                                      
CONECT   15   23                                                      
CONECT   16   23   23                                                 
CONECT   17   22   22   41   48                                       
CONECT   18   12   12                                                 
CONECT   19   11   26   36   49                                       
CONECT   20   13   13                                                 
CONECT   21   14   65                                                 
CONECT   22   17   17   23   29                                       
CONECT   23   15   16   16   22                                       
CONECT   24   26   50                                                 
CONECT   25   12   63                                                 
CONECT   26   19   24   32   51                                       
CONECT   27   13   64                                                 
CONECT   28    1   14                                                 
CONECT   29    1   22   35   35                                       
CONECT   30   32   52                                                 
CONECT   31   12   13                                                 
CONECT   32   26   30   37   53                                       
CONECT   33   13   14                                                 
CONECT   34   14   14                                                 
CONECT   35   29   29   38   54                                       
CONECT   36   19   37                                                 
CONECT   37   32   36   40   55                                       
CONECT   38   35   41   41   56                                       
CONECT   39   12   40                                                 
CONECT   40   37   39   57   58                                       
CONECT   41   17   38   38   59                                       
CONECT   42    1   60   61   62                                       
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   35                                                      
CONECT   55   37                                                      
CONECT   56   38                                                      
CONECT   57   40                                                      
CONECT   58   40                                                      
CONECT   59   41                                                      
CONECT   60   42                                                      
CONECT   61   42                                                      
CONECT   62   42                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   21                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
